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Cefozopran hydrochloride

CAT: 1410-M21205-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M21205-01Size:2 mg
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Description
Cefozopran hydrochloride is a fourth-generation cephalosporin. is a cell wall biosynthesis inhibitor with a broad spectrum of activity against Gram-positive and Gram-negative bacteria.
CAS Number
113981-44-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
551.99
Molecular Formula
C19H18ClN9O5S2
Notes
Research use only, not for human use.
Receptor
Bacterial

Chemical Information

Cefozopran monohydrochloride

Cefozopran Hydrochloride is the hydrochloride salt form of cefozopran, a semi-synthetic, broad-spectrum, fourth-generation cephalosporin with antibacterial activity.

CAS Number113981-44-5
PubChem CID9690120
IUPAC Name(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-(imidazo[1,2-b]pyridazin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride
Molecular FormulaC19H18ClN9O5S2
Molecular Weight552.0
Topological Polar Surface Area238
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity959
SMILES
CO/N=C(/C1=NSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=C5C=CC=NN5C=C4)C(=O)[O-].Cl
InChI
InChI=1S/C19H17N9O5S2.ClH/c1-33-24-11(14-23-19(20)35-25-14)15(29)22-12-16(30)28-13(18(31)32)9(8-34-17(12)28)7-26-5-6-27-10(26)3-2-4-21-27;/h2-6,12,17H,7-8H2,1H3,(H3-,20,22,23,25,29,31,32);1H/b24-11-;/t12-,17-;/m1./s1
InChIKey
NTJHUKMPVIFDNY-XFDPNJHTSA-N
Chemical Structure
2D Structure
2D structure of Cefozopran monohydrochloride
CAS: 113981-44-5
CID: 9690120
Formula: C19H18ClN9O5S2
MW: 552.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight552.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Exact Mass551.0560847
Monoisotopic Mass551.0560847
Topological Polar Surface Area238 Ų
Heavy Atom Count36
Formal Charge0
Complexity959
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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T4984-01Cefozopran hydrochloride
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A11284-100Cefozopran 100mg
A11284-5Cefozopran 5mg
A11284-50Cefozopran 50mg
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